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(Q105286945)
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English
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl butanoate
group of stereoisomers with the chemical formula C₁₄H₂₄O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
camphan monoterpenoid
1 reference
inferred from
camphan monoterpenoid
mass
224.177630008
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₄O₂
0 references
canonical SMILES
O=C(OC1CC2CCC1(C)C2(C)C)CCC
0 references
found in taxon
Thymus funkii
1 reference
stated in
Composition and study of the variability of the essential oil ofThymus funkii Cosson
Aloysia citrodora
1 reference
stated in
Composition of Lemon Verbena (Aloysia triphylla(L'Herit.) Britton) Oil of Moroccan Origin
Aloysia triphylla
1 reference
stated in
Composition of Lemon Verbena (Aloysia triphylla(L'Herit.) Britton) Oil of Moroccan Origin
Thymus longiflorus
1 reference
stated in
Composition and study of the variability of the essential oil ofThymus funkii Cosson
Aloysia citriodora
1 reference
stated in
Composition of Lemon Verbena (Aloysia triphylla(L'Herit.) Britton) Oil of Moroccan Origin
Identifiers
InChI
InChI=1S/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3
0 references
InChIKey
VIPNQHBVIDJXJE-UHFFFAOYSA-N
0 references
PubChem CID
97897
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
171780
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
UniChem compound ID
25390632
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP006405
1 reference
InChIKey
VIPNQHBVIDJXJE-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Fac_Eng_Univ_Tokyo-JP006538
1 reference
InChIKey
VIPNQHBVIDJXJE-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0038246
1 reference
based on heuristic
inferred from InChIKey
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